SCHEMBL850901

SCHEMBL850901

CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Oc3ccc(C#N)cc3)nc2Oc2ccc(C#N)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.49
F10 P00742 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
ST14 Q9Y5Y6 1/20 0.46
SCN9A Q15858 3/20 0.45
POLB P06746 2/20 0.43
EGLN2 Q96KS0 1/20 0.42
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
MAOB P27338 1/20 0.41
PARP1 P09874 1/20 0.41
SCN7A Q01118 1/20 0.40
KCNH2 Q12809 1/20 0.40
PGGT1B P53609 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL851645 0.84 F2 (0.52) GPR119F10PRSS1PRSS2PRSS3
SCHEMBL850860 0.84 SIGMAR1 (0.43) GPR119F10PRSS1PRSS2PRSS3
SCHEMBL851706 0.83 SCN7A (0.55) F10PRSS1PRSS2PRSS3ST14
SCHEMBL851402 0.81 F10 (0.53) GPR119F10PRSS1PRSS2PRSS3
SCHEMBL851176 0.78 F10 (0.49) GPR119F10PRSS1PRSS2PRSS3
SCHEMBL851458 0.78 GPR119 (0.55) GPR119SCN9AEGLN2CCNCCDK8
SCHEMBL862041 0.77 F10 (0.48) GPR119F10PRSS1PRSS2PRSS3
SCHEMBL851777 0.77 F10 (0.48) GPR119F10PRSS1PRSS2PRSS3
SCHEMBL17882453 0.77 HRH3 (0.47) POLBPARP1
SCHEMBL28088874 0.77 GPR119 (0.62) GPR119SCN9APOLBEGLN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140200225-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2014-07-17 US disclosed
US-8722930-B2 Protease inhibitors ORION CORPORATION (FI) 2014-05-13 US disclosed
US-20120136002-A1 PROTEASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-31 US disclosed
EP-2432556-A1 PROTEASE INHIBITORS Orion Corporation (FI) 2012-03-28 EP disclosed
WO-2010133748-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2010-11-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140200225-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 GPR119 3130/4885F10 152/4885PRSS1 3/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 GPR119 3130/4885F10 152/4885PRSS1 3/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.